Template Class BrillouinZoneMesh3

• Defined in File bz_mesh.hpp

Inheritance Relationships

Base Type

• public brille::Mesh3< T, S > (Template Class Mesh3)

Class Documentation

template<class T, class S>
class brille::BrillouinZoneMesh3 : public brille::Mesh3<T, S>

Public Functions

template<typename ...A>
BrillouinZoneMesh3(const BrillouinZone &bz, A... args)

Construct using a maximum tetrahedron volume makes a tetrahedron mesh instead of a orthogonal grid.

Note

If vol is in relative lattice units an absolute volume will be determined using the unit cell volume of the underlying lattice.

Parameters

• bz: The BrillouinZone object

• vol: The maximum tetrahedron volume

• isrlu: A flag to indicate if vol is in units of rlu (isrlu=1) or inverse angstrom (isrlu=0)

BrillouinZone get_brillouinzone(void) const

bArray<double> get_mesh_hkl(void) const

template<class R>
std::tuple<brille::Array<T>, brille::Array<S>> ir_interpolate_at(const LQVec<R> &x, const int nthreads, const bool no_move = false) const

Protected Attributes

BrillouinZone brillouinzone